Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9697973

CC(C)C[C@@H](N)C(=O)OCc1ccccc1.Cl

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ANPEP P15144 1/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
CTSK P43235 5/20 0.50
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
IDO1 P14902 1/20 0.47
SLC15A1 P46059 1/20 0.47
SLC1A1 P43005 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7365467 1.00 ALDH1A1 (0.51) ALDH1A1ANPEPRNPEPDNPEPCTSK
Hydrochloric Acid SCHEMBL1810902 1.00 ALDH1A1 (0.51) ALDH1A1ANPEPRNPEPDNPEPCTSK
SCHEMBL353695 0.98 ALDH1A1 (0.53) ALDH1A1ANPEPRNPEPDNPEPCTSK
SCHEMBL355730 0.98 ALDH1A1 (0.53) ALDH1A1ANPEPRNPEPDNPEPCTSK
SCHEMBL728728 0.98 ALDH1A1 (0.53) ALDH1A1ANPEPRNPEPDNPEPCTSK
Alcohol SCHEMBL28297582 0.95 ANPEP (0.48) ALDH1A1ANPEPRNPEPDNPEPCTSK
Oxalic Acid SCHEMBL4393417 0.94 ANPEP (0.49) ALDH1A1ANPEPRNPEPDNPEPCTSK
Oxalic Acid SCHEMBL4393420 0.94 ANPEP (0.49) ALDH1A1ANPEPRNPEPDNPEPCTSK
Toluene SCHEMBL27746059 0.92 ANPEP (0.48) ALDH1A1ANPEPRNPEPDNPEPCTSK
Trifluoroacetic Acid SCHEMBL27697116 0.90 ANPEP (0.49) ALDH1A1ANPEPRNPEPDNPEPCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466961-B1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR LI MIN (US) 2022-04-06 EP disclosed
EP-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 EP disclosed
EP-2889293-B1 THIAZINE AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-04-26 EP disclosed
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
US-9359314-B2 Thiazine amide derivative and pharmaceutical composition and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-06-07 US disclosed
US-20150203460-A1 Thiazine Amide Derivative and Pharmaceutical Composition and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-07-23 US disclosed
EP-2889293-A1 THIAZINE AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2015-07-01 EP disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 EP disclosed
CN-102464701-A Novel compound, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2012-05-23 CN disclosed
CN-1228780-A Phosphinic acid amides as matrix metalloprotease inhibitors PROCTER & GAMBLE (US) 1999-09-15 CN disclosed
US-5136050-A Process for resolving amino acids using substituted lactones ROUSSEL UCLAF (FR) 1992-08-04 US disclosed
US-4513139-A Substituted lactones of amino acids ROUSSEL UCLAF (FR) 1985-04-23 US disclosed
US-4350637-A STEREOISOMERS, RESOLUTION ROUSSEL UCLAF (FR) 1982-09-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD ALDH1A1 1690/4885ANPEP 77/4885RNPEP 62/4885
US-20150203460-A1 Thiazine Amide Derivative and Pharmaceutical Composition and Use Thereof HTT, AQP4, MAPT ALDH1A1 803/4885ANPEP 878/4885RNPEP 2126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.